CID 402190

2-chloro-3,5,6-triphenylpyrazine

Structural Information

Molecular Formula
C22H15ClN2
SMILES
C1=CC=C(C=C1)C2=C(N=C(C(=N2)C3=CC=CC=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C22H15ClN2/c23-22-21(18-14-8-3-9-15-18)24-19(16-10-4-1-5-11-16)20(25-22)17-12-6-2-7-13-17/h1-15H
InChIKey
VTXIJSKJUMZHBW-UHFFFAOYSA-N
Compound name
2-chloro-3,5,6-triphenylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

342.09238 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.099656 182.0
[M+Na]+ 365.081598 191.1
[M-H]- 341.085104 191.2
[M+NH4]+ 360.126203 192.3
[M+K]+ 381.055538 181.8
[M+H-H2O]+ 325.089640 169.8
[M+HCOO]- 387.090581 198.2
[M+CH3COO]- 401.106231 192.2
[M+Na-2H]- 363.067046 187.6
[M]+ 342.09183142 182.4
[M]- 342.09292858 182.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe